CID 86617243

3-formyl-n,5-dimethylbenzamide

Structural Information

Molecular Formula
C10H11NO2
SMILES
CC1=CC(=CC(=C1)C(=O)NC)C=O
InChI
InChI=1S/C10H11NO2/c1-7-3-8(6-12)5-9(4-7)10(13)11-2/h3-6H,1-2H3,(H,11,13)
InChIKey
VYZGNRDOHHTJOP-UHFFFAOYSA-N
Compound name
3-formyl-N,5-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

177.07898 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 135.9
[M+Na]+ 200.06820 144.2
[M-H]- 176.07170 140.2
[M+NH4]+ 195.11280 156.2
[M+K]+ 216.04214 142.4
[M+H-H2O]+ 160.07624 130.1
[M+HCOO]- 222.07718 161.0
[M+CH3COO]- 236.09283 183.9
[M+Na-2H]- 198.05365 141.3
[M]+ 177.07843 136.9
[M]- 177.07953 137.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe